2-chloro-5-phenylmethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one

C15H11ClO2 — CID 102362654

IUPAC2-chloro-5-phenylmethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one
SMILESO=C1Cc2c(Cl)ccc(OCc3ccccc3)c21
InChIInChI=1S/C15H11ClO2/c16-12-6-7-14(15-11(12)8-13(15)17)18-9-10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyAUZCZRYZOLHKNA-UHFFFAOYSA-N
MW258.70 g/mol
LogP3.66
Rot. Bonds3

About 2-chloro-5-phenylmethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one

2-chloro-5-phenylmethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one (PubChem CID 102362654) has the molecular formula C15H11ClO2 and a molecular weight of 258.70 g/mol. Its IUPAC name is 2-chloro-5-phenylmethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one.

Molecular Properties

Compound Name2-chloro-5-phenylmethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one
PubChem CID102362654
Molecular FormulaC15H11ClO2
Molecular Weight258.70 g/mol
Exact Mass258.04
IUPAC Name2-chloro-5-phenylmethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one
SMILESO=C1Cc2c(Cl)ccc(OCc3ccccc3)c21
InChIInChI=1S/C15H11ClO2/c16-12-6-7-14(15-11(12)8-13(15)17)18-9-10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyAUZCZRYZOLHKNA-UHFFFAOYSA-N
XLogP3.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 117468024
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CID 82550709
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CID 58086731
1-chloro-4-fluoro-2-phenylmethoxybenzene
CID 91656120
[4-[(2-chlorophenoxy)methyl]phenyl]-phenylmethanone
CID 1265675
(4-chloro-3-phenylmethoxyphenyl)methanol
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-phenylmethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one?
The IUPAC name of 2-chloro-5-phenylmethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one (CID 102362654) is 2-chloro-5-phenylmethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one.
What is the SMILES notation for 2-chloro-5-phenylmethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one?
The canonical SMILES for 2-chloro-5-phenylmethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one is O=C1Cc2c(Cl)ccc(OCc3ccccc3)c21.
What is the InChIKey of 2-chloro-5-phenylmethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one?
The InChIKey is AUZCZRYZOLHKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO2/c16-12-6-7-14(15-11(12)8-13(15)17)18-9-10-4-2-1-3-5-10/h1-7H,8-9H2.
What are the key properties of 2-chloro-5-phenylmethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one?
2-chloro-5-phenylmethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one has a molecular weight of 258.70 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-phenylmethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one is sourced from PubChem (CID 102362654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).